2-{[5-(1-benzofuran-2-yl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(2-hydroxy-5-methylphenyl)acetamide
Chemical Structure Depiction of
2-{[5-(1-benzofuran-2-yl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(2-hydroxy-5-methylphenyl)acetamide
2-{[5-(1-benzofuran-2-yl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(2-hydroxy-5-methylphenyl)acetamide
Compound characteristics
| Compound ID: | J047-0563 |
| Compound Name: | 2-{[5-(1-benzofuran-2-yl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(2-hydroxy-5-methylphenyl)acetamide |
| Molecular Weight: | 420.49 |
| Molecular Formula: | C22 H20 N4 O3 S |
| Smiles: | Cc1ccc(c(c1)NC(CSc1nnc(c2cc3ccccc3o2)n1CC=C)=O)O |
| Stereo: | ACHIRAL |
| logP: | 4.3176 |
| logD: | 4.3173 |
| logSw: | -4.0601 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 71.512 |
| InChI Key: | RCEFMMSVMBVTEA-UHFFFAOYSA-N |